4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C12H11Cl2FN4 — CID 80755406

IUPAC4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H11Cl2FN4/c1-2-16-12-17-6-8(15)11(19-12)18-9-5-3-4-7(13)10(9)14/h3-6H,2H2,1H3,(H2,16,17,18,19)
InChIKeyGADBZCHBERUFIJ-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.10
Rot. Bonds4

About 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80755406) has the molecular formula C12H11Cl2FN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80755406
Molecular FormulaC12H11Cl2FN4
Molecular Weight301.15 g/mol
Exact Mass300.03
IUPAC Name4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H11Cl2FN4/c1-2-16-12-17-6-8(15)11(19-12)18-9-5-3-4-7(13)10(9)14/h3-6H,2H2,1H3,(H2,16,17,18,19)
InChIKeyGADBZCHBERUFIJ-UHFFFAOYSA-N
XLogP4.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80760195
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
5-chloro-4-N-(2,3-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80797692
5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80755046
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
4-N-(2-bromo-5-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81271743
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80755406) is 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is GADBZCHBERUFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN4/c1-2-16-12-17-6-8(15)11(19-12)18-9-5-3-4-7(13)10(9)14/h3-6H,2H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 301.15 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80755406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).